- InChI
- InChI=1S/C13H16O4/c1-2-3-6-9-17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
- InChI Key
- FPGPRAKRYDSZAW-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 236.26
- CAS
- 24539-56-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9180 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.732 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [1926.00; 1926.00] |
|
|
| Inp | 1926.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Tboil | 592.64 | K | Relay (1.0) Calculated Property |
| Tc | 824.76 | K | Relay (1.0) Calculated Property |
| Tfus | 347.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.99; 573.14] | J/mol×K | [750.84; 950.74] |
|
| Cp,gas | 514.99 | J/mol×K | 750.84 | Joback Calculated Property |
| Cp,gas | 526.50 | J/mol×K | 784.16 | Joback Calculated Property |
| Cp,gas | 537.26 | J/mol×K | 817.47 | Joback Calculated Property |
| Cp,gas | 547.29 | J/mol×K | 850.79 | Joback Calculated Property |
| Cp,gas | 556.60 | J/mol×K | 884.10 | Joback Calculated Property |
| Cp,gas | 565.21 | J/mol×K | 917.42 | Joback Calculated Property |
| Cp,gas | 573.14 | J/mol×K | 950.74 | Joback Calculated Property |
| η | [0.0000353; 0.0009364] | Pa×s | [458.12; 750.84] |
|
| η | 0.0009364 | Pa×s | 458.12 | Joback Calculated Property |
| η | 0.0004170 | Pa×s | 506.91 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 555.69 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 604.48 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 653.27 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 702.05 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 750.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Pentyloxycarbonyl)benzoic acid.
Sources
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